2LUG
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![BU of 2lug by Molmil](/molmil-images/mine/2lug) | Solution NMR structure of a S72-S107 peptide of 18.5kDa murine myelin basic protein (MBP) in association with dodecylphosphocholine micelles | Descriptor: | Myelin basic protein | Authors: | Ahmed, M.A.M, De Avila, M, Polverini, E, Bessonov, K, Bamm, V.V, Harauz, G. | Deposit date: | 2012-06-13 | Release date: | 2012-09-19 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Nuclear Magnetic Resonance Structure and Molecular Dynamics Simulations of a Murine 18.5 kDa Myelin Basic Protein Segment (S72-S107) in Association with Dodecylphosphocholine Micelles. Biochemistry, 51, 2012
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6UMW
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![BU of 6umw by Molmil](/molmil-images/mine/6umw) | Crystal structure of hEphB1 bound with chlortetracycline | Descriptor: | 7-CHLOROTETRACYCLINE, Ephrin type-B receptor 1 | Authors: | Ahmed, M, Wang, P, Sadek, H. | Deposit date: | 2019-10-10 | Release date: | 2020-10-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.982 Å) | Cite: | Identification of tetracycline combinations as EphB1 tyrosine kinase inhibitors for treatment of neuropathic pain. Proc.Natl.Acad.Sci.USA, 118, 2021
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5KDQ
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![BU of 5kdq by Molmil](/molmil-images/mine/5kdq) | Deoxyhemoglobin in Complex with an Aryloxyalkanoic acid | Descriptor: | 3-[2-chloranyl-4-(1~{H}-imidazol-2-yl)phenoxy]propanoic acid, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Ahmed, M.H, Omar, A.M, Safo, M.K. | Deposit date: | 2016-06-08 | Release date: | 2016-06-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Aryloxyalkanoic Acids as Non-Covalent Modifiers of the Allosteric Properties of Hemoglobin. Molecules, 21, 2016
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5KSJ
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![BU of 5ksj by Molmil](/molmil-images/mine/5ksj) | Crystal structure of deoxygenated hemoglobin in complex with Sphingosine phosphate | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Ahmed, M.H, Safo, M.K, Xia, Y. | Deposit date: | 2016-07-08 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease. Sci Rep, 7, 2017
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5KSI
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![BU of 5ksi by Molmil](/molmil-images/mine/5ksi) | Crystal structure of deoxygenated hemoglobin in complex with sphingosine phosphate and 2,3-Bisphosphoglycerate | Descriptor: | (2R)-2,3-diphosphoglyceric acid, (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, ... | Authors: | Ahmed, M.H, Safo, M.K, Xia, Y. | Deposit date: | 2016-07-08 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease. Sci Rep, 7, 2017
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7KPL
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![BU of 7kpl by Molmil](/molmil-images/mine/7kpl) | Crystal structure of hEphB1 in apo form | Descriptor: | Ephrin type-B receptor 1 | Authors: | Ahmed, M, Wang, P, Sadek, H. | Deposit date: | 2020-11-11 | Release date: | 2021-03-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.705 Å) | Cite: | Identification of tetracycline combinations as EphB1 tyrosine kinase inhibitors for treatment of neuropathic pain. Proc.Natl.Acad.Sci.USA, 118, 2021
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7KPM
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![BU of 7kpm by Molmil](/molmil-images/mine/7kpm) | Crystal structure of hEphB1 bound with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Ephrin type-B receptor 1 | Authors: | Ahmed, M, Wang, P, Sadek, H. | Deposit date: | 2020-11-11 | Release date: | 2021-03-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.608 Å) | Cite: | Identification of tetracycline combinations as EphB1 tyrosine kinase inhibitors for treatment of neuropathic pain. Proc.Natl.Acad.Sci.USA, 118, 2021
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5CMA
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![BU of 5cma by Molmil](/molmil-images/mine/5cma) | Anti-B7-H3 monoclonal antibody ch8H9 Fab fragment | Descriptor: | Antibody ch8H9 Fab heavy chain, Antibody ch8H9 Fab light chain | Authors: | Ahmed, M, Goldgur, Y, Cheng, M, Cheung, N.K. | Deposit date: | 2015-07-16 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Humanized Affinity-matured Monoclonal Antibody 8H9 Has Potent Antitumor Activity and Binds to FG Loop of Tumor Antigen B7-H3. J.Biol.Chem., 290, 2015
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3VFG
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![BU of 3vfg by Molmil](/molmil-images/mine/3vfg) | |
4WCZ
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![BU of 4wcz by Molmil](/molmil-images/mine/4wcz) | Crystal structure of a putative enoyl-CoA hydratase/isomerase from Novosphingobium aromaticivorans | Descriptor: | Enoyl-CoA hydratase/isomerase | Authors: | Tkaczuk, K.L, Cooper, D.R, Chapman, H.C, Niedzialkowska, E, Cymborowski, M.T, Hillerich, B.S, Stead, M, Ahmed, M, Hammonds, J, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-09-05 | Release date: | 2014-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structure of a putative enoyl-CoA hydratase/isomerase from Novosphingobium aromaticivorans to be published
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7ATU
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![BU of 7atu by Molmil](/molmil-images/mine/7atu) | The LIMK1 Kinase Domain Bound To LIJTF500025 | Descriptor: | (S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide, LIM domain kinase 1 | Authors: | Mathea, S, Chatterjee, D, Preuss, F, Yamamoto, S, Tawada, M, Nomura, I, Takagi, T, Ahmed, M, Little, W, Mueller-Knapp, S, Knapp, S. | Deposit date: | 2020-10-30 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The LIMK1 Kinase Domain Bound To LIJTF500025 To Be Published
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2BBR
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![BU of 2bbr by Molmil](/molmil-images/mine/2bbr) | Crystal Structure of MC159 Reveals Molecular Mechanism of DISC Assembly and vFLIP Inhibition | Descriptor: | AZIDE ION, Viral CASP8 and FADD-like apoptosis regulator | Authors: | Yang, J.K, Wang, L, Zheng, L, Wan, F, Ahmed, M, Lenardo, M.J, Wu, H. | Deposit date: | 2005-10-17 | Release date: | 2006-02-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of MC159 reveals molecular mechanism of DISC assembly and FLIP inhibition. Mol.Cell, 20, 2005
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7ATS
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![BU of 7ats by Molmil](/molmil-images/mine/7ats) | The LIMK1 Kinase Domain Bound To LIJTF500127 | Descriptor: | LIM domain kinase 1, N-[3-[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]benzenesulfonamide | Authors: | Mathea, S, Chatterjee, D, Preuss, F, Yamamoto, S, Tawada, M, Nomura, I, Takagi, T, Ahmed, M, Little, W, Mueller-Knapp, S, Knapp, S. | Deposit date: | 2020-10-30 | Release date: | 2020-11-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The LIMK1 Kinase Domain Bound To LIJTF500127 To Be Published
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2BBZ
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![BU of 2bbz by Molmil](/molmil-images/mine/2bbz) | Crystal Structure of MC159 Reveals Molecular Mechanism of DISC Assembly and vFLIP Inhibition | Descriptor: | Viral CASP8 and FADD-like apoptosis regulator | Authors: | Yang, J.K, Wang, L, Zheng, L, Wan, F, Ahmed, M, Lenardo, M.J, Wu, H. | Deposit date: | 2005-10-18 | Release date: | 2006-02-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Crystal structure of MC159 reveals molecular mechanism of DISC assembly and FLIP inhibition. Mol.Cell, 20, 2005
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4WED
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![BU of 4wed by Molmil](/molmil-images/mine/4wed) | Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti | Descriptor: | ABC transporter, periplasmic solute-binding protein, FORMIC ACID, ... | Authors: | Shabalin, I.G, Otwinowski, Z, Bacal, P, Cymborowski, M.T, Handing, K.B, Stead, M, Hammonds, J, Ahmed, M, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-09-09 | Release date: | 2014-09-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti to be published
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4WBT
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![BU of 4wbt by Molmil](/molmil-images/mine/4wbt) | Crystal structure of histidinol-phosphate aminotransferase from Sinorhizobium meliloti in complex with pyridoxal-5'-phosphate | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Shabalin, I.G, Bacal, P, Kowalska, A.K, Cooper, D.R, Stead, M, Hammonds, J, Ahmed, M, Hillerich, B.S, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-09-03 | Release date: | 2014-09-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of histidinol-phosphate aminotransferase from Sinorhizobium meliloti in complex with pyridoxal-5'-phosphate to be published
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4GIC
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![BU of 4gic by Molmil](/molmil-images/mine/4gic) | Crystal Structure Of a Putative Histidinol dehydrogenase (Target PSI-014034) from Methylococcus capsulatus | Descriptor: | Histidinol dehydrogenase, SULFATE ION | Authors: | Kumar, P.R, Ahmed, M, Banu, N, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Gizzi, A, Glen, S, Hammonds, J, Hillerich, B, Love, J.D, Seidel, R, Stead, M, Toro, R, Washington, E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-08-08 | Release date: | 2012-08-22 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Crystal structure of a putative Histidinol dehydrogenase from Methylococcus capsulatus to be published
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8VTT
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8VTS
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![BU of 8vts by Molmil](/molmil-images/mine/8vts) | |
8FMO
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![BU of 8fmo by Molmil](/molmil-images/mine/8fmo) | |
8FMP
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![BU of 8fmp by Molmil](/molmil-images/mine/8fmp) | |
2M4M
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![BU of 2m4m by Molmil](/molmil-images/mine/2m4m) | Solution structure of the RRM domain of the hypothetical protein CAGL0M09691g from Candida glabrata | Descriptor: | hypothetical protein | Authors: | Harris, R, Hillerich, B, Ahmed, M, Bonanno, J.B, Chamala, S, Evans, B, Lafleur, J, Hammonds, J, Washington, E, Stead, M, Love, J, Attonito, J, Patel, H, Seidel, R.D, Chook, Y.M, Rout, M.P, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Nucleocytoplasmic Transport: a Target for Cellular Control (NPCXstals) | Deposit date: | 2013-02-07 | Release date: | 2013-02-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of the RRM domain of the hypothetical protein CAGL0M09691g from Candida glabrata To be Published
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5M1U
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2M4N
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![BU of 2m4n by Molmil](/molmil-images/mine/2m4n) | Solution structure of the putative Ras interaction domain of AFD-1, isoform a from Caenorhabditis elegans | Descriptor: | Protein AFD-1, isoform a | Authors: | Harris, R, Hillerich, B, Ahmed, M, Bonanno, J.B, Chamala, S, Evans, B, Lafleur, J, Hammonds, J, Washington, E, Stead, M, Love, J, Attonito, J, Seidel, R.D, Liddington, R.C, Weis, W.I, Nelson, W.J, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Assembly, Dynamics and Evolution of Cell-Cell and Cell-Matrix Adhesions (CELLMAT) | Deposit date: | 2013-02-07 | Release date: | 2013-03-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of the putative Ras interaction domain of AFD-1, isoform a from Caenorhabditis elegans To be Published
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4U13
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![BU of 4u13 by Molmil](/molmil-images/mine/4u13) | Crystal structure of putative polyketide cyclase (protein SMa1630) from Sinorhizobium meliloti at 2.3 A resolution | Descriptor: | putative polyketide cyclase SMa1630 | Authors: | Shabalin, I.G, Bacal, P, Osinski, T, Cooper, D.R, Szlachta, K, Stead, M, Grabowski, M, Hammonds, J, Ahmed, M, Hillerich, B.S, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-07-14 | Release date: | 2014-09-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a putative polyketide cyclase (protein SMa1630) from Sinorhizobium meliloti at 2.3 A resolution to be published
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